ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-fluorophenyl)thio]butanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22FN3O5S3 MolecularWeight: 511.609883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O5S3/c1-2-30-20(27)13-25-17-10-9-16(33(23,28)29)12-18(17)32-21(25)24-19(26)4-3-11-31-15-7-5-14(22)6-8-15/h5-10,12H,2-4,11,13H2,1H3,(H2,23,28,29)